N-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C19H17ClN6O — CID 35533333

IUPACN-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C19H17ClN6O/c1-11-8-16(17-12(2)24-25(3)18(17)22-11)19(27)23-14-4-6-15(7-5-14)26-10-13(20)9-21-26/h4-10H,1-3H3,(H,23,27)
InChIKeyAVKIVQZCUPEQJP-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.68
Rot. Bonds3

About N-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 35533333) has the molecular formula C19H17ClN6O and a molecular weight of 380.84 g/mol. Its IUPAC name is N-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID35533333
Molecular FormulaC19H17ClN6O
Molecular Weight380.84 g/mol
Exact Mass380.12
IUPAC NameN-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C19H17ClN6O/c1-11-8-16(17-12(2)24-25(3)18(17)22-11)19(27)23-14-4-6-15(7-5-14)26-10-13(20)9-21-26/h4-10H,1-3H3,(H,23,27)
InChIKeyAVKIVQZCUPEQJP-UHFFFAOYSA-N
XLogP3.68
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,6-trimethyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31864419
1,3,6-trimethyl-N-(4-propylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 24627619
N-(4-chloro-2-methylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609333
N-[4-(cyclopropylcarbamoylamino)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55531978
N-(3,4-dimethoxyphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621214
1-butyl-N-[4-[(4-chloropyrazol-1-yl)methyl]phenyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19590099
N-(3-iodophenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621285
1,3,6-trimethyl-N-(1-methylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622173
N-(1,3-benzothiazol-5-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 131889264
butyl 4-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoate
CID 16609341
1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 131932427
N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55727047

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 35533333) is N-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)c2c(C)nn(C)c2n1.
What is the InChIKey of N-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is AVKIVQZCUPEQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O/c1-11-8-16(17-12(2)24-25(3)18(17)22-11)19(27)23-14-4-6-15(7-5-14)26-10-13(20)9-21-26/h4-10H,1-3H3,(H,23,27).
What are the key properties of N-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 380.84 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 35533333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).